Sugi Predict

Sugi Predict / Compounds / SCHEMBL7288273

SCHEMBL7288273

SCHEMBL7288273

CC(C)c1cc(F)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.47
▸ CES2 O00748 4/20 0.44
▸ CES1 P23141 4/20 0.44
▸ NOTUM Q6P988 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CAMKK2 Q96RR4 4/20 0.41
▸ CAMKK1 Q8N5S9 2/20 0.41
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ EIF4A3 P38919 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DHODH Q02127 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28271165 0.87 KEAP1 (0.47) KEAP1ACE2CES2CES1NOTUM
SCHEMBL22953370 0.87 KEAP1 (0.47) KEAP1ACE2CES2CES1NOTUM
SCHEMBL29504783 0.87 KEAP1 (0.47) KEAP1ACE2CES2CES1NOTUM
SCHEMBL17465967 0.85 KEAP1 (0.53) KEAP1ACE2CES2CES1NOTUM
SCHEMBL7281400 0.83 CES2 (0.42) KEAP1ACE2CES2CES1RECQL
SCHEMBL20605963 0.82 KEAP1 (0.50) KEAP1CES2CES1NOTUMALDH1A1
SCHEMBL19879079 0.81 KEAP1 (0.42) KEAP1ACE2CES2CES1NOTUM
Hydrochloric Acid SCHEMBL11581782 0.81 KEAP1 (0.42) KEAP1ACE2CES2CES1NOTUM
SCHEMBL30294460 0.81 CLCN2 (0.50) KEAP1ACE2RECQLALDH1A1CAMKK2
SCHEMBL22852848 0.81 CLCN2 (0.50) KEAP1ACE2RECQLALDH1A1CAMKK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 — — US disclosed
WO-2019196714-A1 N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF 华东理工大学 2019-10-17 — — WO disclosed
US-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-12-20 — — US disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 — — US disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 — — US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
WO-2017006296-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-12 — — WO disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-20160143870-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-26 — — US disclosed
EP-0594257-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1994-04-27 — — EP disclosed
US-5306818-A Treating degenerative diseases such as emphysema, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-04-26 — — US disclosed
US-5296496-A Treating degenerative diseases STERLING WINTHROP INC. (US) 1994-03-22 — — US disclosed
US-5250696-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1993-10-05 — — US disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 — — EP disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 — — EP disclosed
EP-0549073-A1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1993-06-30 — — EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 — — US disclosed
US-5128339-A Emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1992-07-07 — — US disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160143870-A1 IDO INHIBITORS IDO1, IDO2, TDO2 KEAP1 423/4885ACE2 527/4885CES2 2953/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT KEAP1 740/4885ACE2 204/4885CES2 1087/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT KEAP1 485/4885ACE2 428/4885CES2 2983/4885
US-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS BMP1, BMP2, BMPR1A KEAP1 2282/4885ACE2 3041/4885CES2 3975/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.